(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate | 1048012-00-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate
• 英文别名: (5Z,8Z,11Z,14Z,17Z)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl icosa-5,8,11,14,17-pentaenoate；(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
• CAS: 1048012-00-5
• 化学式: C₂₆H₄₀O₄
• 分子量: 416.601
• InChiKey: FFCZDVYDFIHRTN-AAQCHOMXSA-N

物化性质

• 沸点：
  503.0±50.0 °C(Predicted)
• 密度：
  0.964±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate 在 4-二甲氨基吡啶 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 32.0h， 生成 3-((5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoyloxy)propane-1,2-diyl bis(2-propylpentanoate)
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION
  [FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT D'UNE INFLAMMATION

  摘要：

  本公开提供了化合物I的结构或其药用可接受的盐，以及其多晶型、对映体、立体异构体、溶剂合物和水合物。这些化合物可以制备成药物组合物。药物组合物可以制备成口服、静脉注射、喷雾、注射、含片、溶液、糖浆、小包装、经皮给药或注射的药物。这些组合物可用于治疗炎症或其相关并发症。

  公开号：

  WO2018115984A1
• 作为产物：
  描述：

  全顺式二十碳五烯酸 、 丙酮缩甘油 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以76%的产率得到(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate
  参考文献：
  名称：

  COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION

  摘要：

  本文披露了I式化合物及其药物可接受的盐，以及其多晶形、对映异构体、立体异构体、溶剂化物和水合物。这些化合物可以制成药物组合物。药物组合物可以制成口服、静脉注射、喷雾、注射、含片、溶液、糖浆、小包装、经皮给药等药物形式。这些组合物可以用于治疗炎症或其相关并发症。

  公开号：

  US20220048850A1

文献信息

• Compositions and methods for the treatment of inflammation
  申请人：Cellix Bio Private Limited

  公开号：US10774059B2

  公开（公告）日：2020-09-15

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本文公开了式 I 化合物或其药物可接受盐，以及它们的多晶型物、对映体、立体异构体、溶液和水合物。这些化合物可配制成药物组合物。这些药物组合物可配制成口服、静脉注射、喷雾、肠外、锭剂、溶液、糖浆、袋装、透皮给药或注射剂。此类组合物可用于治疗炎症或其相关并发症。
• Monoglycerides from the brown alga Sargassum sagamianum: Isolation, synthesis, and biological activity
  作者：Hyeun Wook Chang、Kyoung Hwa Jang、Doohyun Lee、Hee Ryong Kang、Tae-Yoon Kim、Bong Ho Lee、Byoung Wook Choi、Sanghee Kim、Jongheon Shin

  DOI：10.1016/j.bmcl.2008.05.008

  日期：2008.6

  Polyunsaturated fatty acid-derived monoglycerides were characterized from the marine brown alga Sargassum sagamianum, collected from Jeju Island, Korea. A new compound of this structural class was isolated and determined to be 1-octadecatetraenoyl glycerol, by combined spectroscopic methods. Based on the structures and bioactivity of these compounds, a series of monoglycerides were synthesized using glycerol and various fatty acids. Several compounds exhibited moderate to significant inhibition of phospholipase A(2) and cyclooxygenase-2. (C) 2008 Elsevier Ltd. All rights reserved.
• POLYUNSATURATED FATTY ACID MONOGLYCERIDES, DERIVATIVES, AND USES THEREOF
  申请人：Centre De Recherche Sur Les Biotechnologies Marine

  公开号：EP2121576B1

  公开（公告）日：2015-11-11
• COMPOSITIONS COMPRISING POLYUNSATURATED FATTY ACID MONOGLYCERIDES OR DERIVATIVES THEREOF AND USES THEREOF
  申请人：FORTIN Samuel

  公开号：US20090291102A1

  公开（公告）日：2009-11-26

  There are provided various compounds and compositions comprising polyunsaturated fatty acid monoglycerides and derivatives thereof. These compounds and compositions can be useful as cancer chemopreventive agents. They can also be useful for enhancing solubility of various active agents and enhancing their bioavailability.
• COMPOSITIONS COMPRISING POLYUNSATURATED FATTY ACID MONOGLYCERIDES, DERIVATIVES THEREOF AND USES THEREOF
  申请人：FORTIN Samuel

  公开号：US20120208884A1

  公开（公告）日：2012-08-16

  There are provided various compounds and compositions comprising polyunsaturated fatty acid monoglycerides and derivatives thereof. These compounds and compositions can be useful as cancer chemopreventive agents. They can also be useful for enhancing solubility of various active agents and enhancing their bioavailability.